4-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methoxy]-3-bromanyl-benzoate

Systemtic Name: 4-[[4-azanyl-6-[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]methoxy]-3-bromanyl-benzoate Openeye Name: 4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methoxy]-3-bromo-benzoate CAS Name: 4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methoxy]-3-bromobenzoate IUPAC Name: 4-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methoxy]-3-bromobenzoate Traditional Name: 4-[[4-amino-6-(4-chloroanilino)-s-triazin-2-yl]methoxy]-3-bromo-benzoate Formula: C17H12BrClN5O3- MolecularWeight: 449.66588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)COC3=C(C=C(C=C3)C(=O)[O-])Br)Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)N)COC3=C(C=C(C=C3)C(=O)[O-])Br)Cl

InChI

InChI=1S/C17H13BrClN5O3/c18-12-7-9(15(25)26)1-6-13(12)27-8-14-22-16(20)24-17(23-14)21-11-4-2-10(19)3-5-11/h1-7H,8H2,(H,25,26)(H3,20,21,22,23,24)/p-1